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  • Currently displaying 1101 - 1120 of 29960 publications
Author(s)
Publication title
Journal Name
Publication year
Estimation of ligand binding free energy using multi-eGO.
B Stegani, E Scalone, F Bacic Toplek, T Lohr, S Gianni, M Vendruscolo, R Capelli, C Camilloni
(2024)
Near-infrared luminescent open-shell π-conjugated systems with a bright lowest-energy zwitterionic singlet excited state.
CP Yu, R Chowdhury, Y Fu, P Ghosh, W Zeng, TBE Mustafa, J Grüne, LE Walker, DG Congrave, XW Chua, P Murto, A Rao, H Sirringhaus, F Plasser, CP Grey, RH Friend, H Bronstein
Science Advances
(2024)
10
A Modular Dual-catalytic Aryl-chlorination of Alkenes
M Gaunt, B Li, A Bunescu, D Drazen, K Rolph, J Michalland
Angewandte Chemie - International Edition
(2024)
A Modular Dual-Catalytic Aryl-Chlorination of Alkenes
B Li, A Bunescu, D Drazen, K Rolph, J Michalland, MJ Gaunt
Angewandte Chemie International Edition
(2024)
63
JCTC Early Career Board Selects.
HGA Burton, SS Dong, S Ghosh, B Gu, NE Jackson, D Keefer, Y Lu, JI Monroe, B Peng, E Pieri, PR Spackman, M Vacher, S Vuckovic, D Williams-Young, ZJ Yang, S Yue, GH Zerze, T Zhu
Journal of chemical theory and computation
(2024)
20
Explainable Gaussian processes: a loss landscape perspective
MP Niroomand, L Dicks, EO Pyzer-Knapp, DJ Wales
Machine Learning: Science and Technology
(2024)
5
How Accurate are Simulations and Experiments for the Lattice Energies of Molecular Crystals
F Della Pia, A Zen, D Alfè, A Michaelides
Phys Rev Lett
(2024)
133
Microlens hollow-core fibre probes for operando Raman spec-troscopy
MJ Groom, E Miele, J Pinnell, MG Ellis, JB McConnell, H Sakr, G Jasion, I Davidson, N Wheeler, Y Jung, F Poletti, S Menkin, M Kamp, JJ Baumberg, TG Euser
ACS Photonics
(2024)
11
Vortex light field microscopy: 3D spectral single-molecule imaging with a twist
B Zhang, S Daly, C Zhu, MO Lenz, LE Weiss, L-M Needham, R Peters, SF Lee, K O’Holleran
(2024)
Chemical Softness in Aromatic Adsorption: Benzene, Nitrobenzene and Anisole on Pt{111}
AL Gunton, SJ Jenkins
Journal of Physical Chemistry A
(2024)
128
Decoding Phase Separation of Prion-Like Domains through Data-Driven Scaling Laws
MJ Maristany, AA Gonzalez, JR Espinosa, J Huertas, R Collepardo-Guevara, JA Joseph
(2024)
Spin-Glass States Generated in a van der Waals Magnet by Alkali-Ion Intercalation
S Khan, ESY Aw, LAV Nagle-Cocco, A Sud, S Ghosh, MKB Subhan, Z Xue, C Freeman, D Sagkovits, A Gutiérrez-Llorente, I Verzhbitskiy, DM Arroo, CW Zollitsch, G Eda, EJG Santos, SE Dutton, ST Bramwell, CA Howard, H Kurebayashi
Advanced Materials
(2024)
36
Selective sodium halide over potassium halide binding and extraction by a heteroditopic halogen bonding [2]catenane.
HM Tay, A Docker, C Hua, PD Beer
Chem Sci
(2024)
15
Highly stretchable dynamic hydrogels for soft multilayer electronics
S O'Neill, Z Huang, X Chen, R Sala, J McCune, G Malliaras, O Scherman
Sci Adv
(2024)
10
Designing New Pt-Based Catalysts: Dual Manipulation of Highly-Branched Structures and Intermixed Compositions
S Ming
(2024)
Coordination of dissolved transition metals in pristine battery electrolyte solutions determined by NMR and EPR spectroscopy
JP Allen, C Szczuka, HE Smith, E Jónsson, R-A Eichel, J Granwehr, CP Grey
Phys Chem Chem Phys
(2024)
26
Investigating in vitro Alpha-Synuclein Aggregation of Parkinson's Disease
H Dakin
(2024)
On-Demand Thio-Succinimide Hydrolysis for the Assembly of Stable Protein–Protein Conjugates
AV Vasco, RJ Taylor, Y Méndez, GJL Bernardes
J Am Chem Soc
(2024)
146
Enabling equitable and affordable access to novel therapeutics for pandemic preparedness and response via creative intellectual property agreements.
EJ Griffen, P Boulet, ASAP Discovery Center, COVID Moonshot
Wellcome open research
(2024)
9
Organic Semiconductor-BiVO4 Tandem Devices for Solar-Driven H2O and CO2 Splitting.
CWS Yeung, V Andrei, TH Lee, JR Durrant, E Reisner
Adv Mater
(2024)
36